hydron;2-(triethylazaniumyl)ethanesulfonate

C8H20NO3S+ — CID 101285365

IUPAChydron;2-(triethylazaniumyl)ethanesulfonate
SMILESCC[N+](CC)(CC)CCS(=O)(=O)[O-].[H+]
InChIInChI=1S/C8H19NO3S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3/p+1
InChIKeyFSBKBPNHVHWRBJ-UHFFFAOYSA-O
MW210.32 g/mol
LogP0.52
Rot. Bonds6

About hydron;2-(triethylazaniumyl)ethanesulfonate

hydron;2-(triethylazaniumyl)ethanesulfonate (PubChem CID 101285365) has the molecular formula C8H20NO3S+ and a molecular weight of 210.32 g/mol. Its IUPAC name is hydron;2-(triethylazaniumyl)ethanesulfonate.

Molecular Properties

Compound Namehydron;2-(triethylazaniumyl)ethanesulfonate
PubChem CID101285365
Molecular FormulaC8H20NO3S+
Molecular Weight210.32 g/mol
Exact Mass210.12
IUPAC Namehydron;2-(triethylazaniumyl)ethanesulfonate
SMILESCC[N+](CC)(CC)CCS(=O)(=O)[O-].[H+]
InChIInChI=1S/C8H19NO3S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3/p+1
InChIKeyFSBKBPNHVHWRBJ-UHFFFAOYSA-O
XLogP0.52
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sulfuric acid;4-(triethylazaniumyl)butane-1-sulfonate
CID 171376195
bis(triethyl(propyl)azanium);sulfate
CID 175166373
dodecane-1-sulfonate;tetraethylazanium
CID 88607705
sodium;tetraethylazanium;sulfate
CID 139985326
bis(triethyl(hexadecyl)azanium);sulfate
CID 139922163
lithium propane-1-sulfonate
CID 131984534
4-(tripropylazaniumyl)butane-1-sulfonate
CID 172751991
3-(trioctylazaniumyl)propane-1-sulfonate
CID 172850397
dilithium;ethane-1,2-disulfonate
CID 87246309
potassium propane-1-sulfonate
CID 23693600
cerium(3+);tris(propane-1-sulfonate)
CID 159815250
2-(diethylamino)ethyl-triethylazanium;methane;methanesulfonate
CID 161284822

Frequently Asked Questions

What is the IUPAC name of hydron;2-(triethylazaniumyl)ethanesulfonate?
The IUPAC name of hydron;2-(triethylazaniumyl)ethanesulfonate (CID 101285365) is hydron;2-(triethylazaniumyl)ethanesulfonate.
What is the SMILES notation for hydron;2-(triethylazaniumyl)ethanesulfonate?
The canonical SMILES for hydron;2-(triethylazaniumyl)ethanesulfonate is CC[N+](CC)(CC)CCS(=O)(=O)[O-].[H+].
What is the InChIKey of hydron;2-(triethylazaniumyl)ethanesulfonate?
The InChIKey is FSBKBPNHVHWRBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19NO3S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3/p+1.
What are the key properties of hydron;2-(triethylazaniumyl)ethanesulfonate?
hydron;2-(triethylazaniumyl)ethanesulfonate has a molecular weight of 210.32 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-(triethylazaniumyl)ethanesulfonate is sourced from PubChem (CID 101285365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).